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Substance Name: 2-Propenoic acid, 3-(3-(((4-(1,1-dimethylethyl)phenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)-, ethyl ester
RN: 107788-11-4
InChIKey: FFOSFMMLSUIQQY-JCMHNJIXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-O6-S2

Molecular Weight

  • 492.6538
 
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Names and Synonyms

  • 2-Propenoic acid, 3-(3-(((4-(1,1-dimethylethyl)phenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-(methylsulfonyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 107788-11-4

System Generated Number

  • 0107788114

Structure Descriptors

InChI

1S/C25H32O6S2/c1-7-30-21-14-17(15-22(33(6,28)29)24(27)31-8-2)13-18(23(21)26)16-32-20-11-9-19(10-12-20)25(3,4)5/h9-15,26H,7-8,16H2,1-6H3/b22-15-

InChIKey

FFOSFMMLSUIQQY-JCMHNJIXSA-N

Smiles

CCOc1cc(cc(c1O)CSc2ccc(cc2)C(C)(C)C)/C=C(/C(=O)OCC)\S(=O)(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4853403,